[5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone

C28H28O — CID 90820279

IUPAC[5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone
SMILESCCc1ccccc1C1CC(c2ccc(C)cc2)C=C1C(=O)c1ccccc1C
InChIInChI=1S/C28H28O/c1-4-21-10-6-8-12-25(21)26-17-23(22-15-13-19(2)14-16-22)18-27(26)28(29)24-11-7-5-9-20(24)3/h5-16,18,23,26H,4,17H2,1-3H3
InChIKeyPEYUETHOGFCKKS-UHFFFAOYSA-N
MW380.53 g/mol
LogP6.95
Rot. Bonds5

About [5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone

[5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone (PubChem CID 90820279) has the molecular formula C28H28O and a molecular weight of 380.53 g/mol. Its IUPAC name is [5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone
PubChem CID90820279
Molecular FormulaC28H28O
Molecular Weight380.53 g/mol
Exact Mass380.21
IUPAC Name[5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone
SMILESCCc1ccccc1C1CC(c2ccc(C)cc2)C=C1C(=O)c1ccccc1C
InChIInChI=1S/C28H28O/c1-4-21-10-6-8-12-25(21)26-17-23(22-15-13-19(2)14-16-22)18-27(26)28(29)24-11-7-5-9-20(24)3/h5-16,18,23,26H,4,17H2,1-3H3
InChIKeyPEYUETHOGFCKKS-UHFFFAOYSA-N
XLogP6.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone
CID 117071524
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
1,2-bis(2-methylphenyl)ethanone
CID 11345119
(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
CID 171716642
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
4-(2-ethylphenyl)-3-(4-methylphenyl)piperidine
CID 79432342
3-(2-methylbenzoyl)-2-(2-methylphenyl)-2,5-dihydro-1H-pyridin-6-one
CID 11507774
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
CID 12729207
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone (CID 90820279) is [5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone is CCc1ccccc1C1CC(c2ccc(C)cc2)C=C1C(=O)c1ccccc1C.
What is the InChIKey of [5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone?
The InChIKey is PEYUETHOGFCKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O/c1-4-21-10-6-8-12-25(21)26-17-23(22-15-13-19(2)14-16-22)18-27(26)28(29)24-11-7-5-9-20(24)3/h5-16,18,23,26H,4,17H2,1-3H3.
What are the key properties of [5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone?
[5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone has a molecular weight of 380.53 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylphenyl)-3-(4-methylphenyl)cyclopenten-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 90820279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).